Dataset

AEIII-032A_C1_C17_diketo_NaBH4_5mg_scale_03.15.2024[1]

This dataset contains NMR spectra obtained for the sample -AEIII-032A_C1_C17_diketo_NaBH4_5mg_scale_03.15.2024 date: 2024-03-15T19:49:39.000Z isFt: true name: AEIII-032A_C1_C17_diketo_NaBH4_5mg_scale_03.15.2024/1 phc0: -68.9556 phc1: 12.99172 type: NMR Spectrum DECIM: 4170.66666666667 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 1.5986583791385098 isComplex: true probeName: Z826801_0005 (PA SEI 300S1 H-C-D-05 Z) experiment: 1d groupDelay: 67.9881591796875 temperature: 298.1489 spectrumSize: 65536 baseFrequency: 299.962 fieldStrength: 7.045086051170646 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 15.9865837913851 numberOfPoints: 11 relaxationTime: 1 acquisitionTime: 0.0010426666666666664 frequencyOffset: 1799.7720000266781 originFrequency: 299.963799772 pulseStrength90: 31250 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Information

molecular Image
InChI InChI=1S/C25H40O3Si/c1-23(2,3)29(6,7)28-17-14-16-8-9-18-19-10-11-21(26)24(19,4)13-12-20(18)25(16,5)22(27)15-17/h14,17-20H,8-13,15H2,1-7H3/t17?,18?,19?,20?,24-,25-/m0/s1
SMILES CC(C)(C)[Si](C)(C)OC1C=C2CCC3C(CC[C@]4(C)C(=O)CCC34)[C@@]2(C)C(=O)C1
InChI Key WATRTLFPLVDPLA-OQQXCLJYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p101.s899.d4427
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D4427
Version
Author
Maintainer
Language english
MetadataPublished 2025-03-24T17:22:25.000000Z
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : ['1H']

NMR spectrum by dimensionality : 1

NMR probe : Z826801_0005 (PA SEI 300S1 H-C-D-05 Z)

Temperature : 298.1489 K

magnetic field strength : 7.045086051170646 Tesla

number of scans : 8 scans

nuclear magnetic resonance pulse sequence : zg30

Spectral Width : 15.9865837913851

number of data points : 11 points

relaxation time measurement : 1 seconds

Data-Source Molecule ID Data-Source
No additional information available for this Dataset.